[4-[[1-amino-8-hydroxy-3,6-disulfo-7-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]diazenyl]phenyl]sulfonyl-[4-[(2,4-diamino-5-methoxyphenyl)diazenyl]phenyl]azanide

C37H33N10O16S5- — CID 143475738

IUPAC[4-[[1-amino-8-hydroxy-3,6-disulfo-7-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]diazenyl]phenyl]sulfonyl-[4-[(2,4-diamino-5-methoxyphenyl)diazenyl]phenyl]azanide
SMILESCOc1cc(/N=N/c2ccc([N-]S(=O)(=O)c3ccc(/N=N/c4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)c(/N=N/c6ccc(S(=O)(=O)CCOS(=O)(=O)O)cc6)c(O)c5c4N)cc3)cc2)c(N)cc1N
InChIInChI=1S/C37H33N10O16S5/c1-62-30-19-29(27(38)18-28(30)39)44-41-21-2-4-24(5-3-21)47-65(51,52)26-12-8-23(9-13-26)42-45-35-31(66(53,54)55)16-20-17-32(67(56,57)58)36(37(48)33(20)34(35)40)46-43-22-6-10-25(11-7-22)64(49,50)15-14-63-68(59,60)61/h2-13,16-19H,14-15H2,1H3,(H10-,38,39,40,41,42,43,44,45,46,47,48,53,54,55,56,57,58,59,60,61)/q-1
InChIKeyDNKHAJZFOSQURF-UHFFFAOYSA-N
MW1034.06 g/mol
LogP7.03
Rot. Bonds17

About [4-[[1-amino-8-hydroxy-3,6-disulfo-7-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]diazenyl]phenyl]sulfonyl-[4-[(2,4-diamino-5-methoxyphenyl)diazenyl]phenyl]azanide

[4-[[1-amino-8-hydroxy-3,6-disulfo-7-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]diazenyl]phenyl]sulfonyl-[4-[(2,4-diamino-5-methoxyphenyl)diazenyl]phenyl]azanide (PubChem CID 143475738) has the molecular formula C37H33N10O16S5- and a molecular weight of 1034.06 g/mol. Its IUPAC name is [4-[[1-amino-8-hydroxy-3,6-disulfo-7-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]diazenyl]phenyl]sulfonyl-[4-[(2,4-diamino-5-methoxyphenyl)diazenyl]phenyl]azanide.

Molecular Properties

Compound Name[4-[[1-amino-8-hydroxy-3,6-disulfo-7-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]diazenyl]phenyl]sulfonyl-[4-[(2,4-diamino-5-methoxyphenyl)diazenyl]phenyl]azanide
PubChem CID143475738
Molecular FormulaC37H33N10O16S5-
Molecular Weight1034.06 g/mol
Exact Mass1033.07
IUPAC Name[4-[[1-amino-8-hydroxy-3,6-disulfo-7-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]diazenyl]phenyl]sulfonyl-[4-[(2,4-diamino-5-methoxyphenyl)diazenyl]phenyl]azanide
SMILESCOc1cc(/N=N/c2ccc([N-]S(=O)(=O)c3ccc(/N=N/c4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)c(/N=N/c6ccc(S(=O)(=O)CCOS(=O)(=O)O)cc6)c(O)c5c4N)cc3)cc2)c(N)cc1N
InChIInChI=1S/C37H33N10O16S5/c1-62-30-19-29(27(38)18-28(30)39)44-41-21-2-4-24(5-3-21)47-65(51,52)26-12-8-23(9-13-26)42-45-35-31(66(53,54)55)16-20-17-32(67(56,57)58)36(37(48)33(20)34(35)40)46-43-22-6-10-25(11-7-22)64(49,50)15-14-63-68(59,60)61/h2-13,16-19H,14-15H2,1H3,(H10-,38,39,40,41,42,43,44,45,46,47,48,53,54,55,56,57,58,59,60,61)/q-1
InChIKeyDNKHAJZFOSQURF-UHFFFAOYSA-N
XLogP7.03
TPSA436.40 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms68
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001034.06
LogP ≤ 57.03
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze [4-[[1-amino-8-hydroxy-3,6-disulfo-7-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]diazenyl]phenyl]sulfonyl-[4-[(2,4-diamino-5-methoxyphenyl)diazenyl]phenyl]azanide with MolForge

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Related Compounds

5-amino-4-hydroxy-3-[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-6-[[3-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid
CID 137129777
5-amino-3-[(4,5-difluoro-2-sulfophenyl)diazenyl]-4-hydroxy-6-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid
CID 143998711
4-amino-6-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-5-hydroxy-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
CID 135978947
tetrasodium;4-amino-5-hydroxy-3,6-bis[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate
CID 135571104
4-amino-5-hydroxy-3-[[3-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-6-[[2-sulfo-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid
CID 137274565
4-amino-5-hydroxy-6-[(4-methylphenyl)diazenyl]-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid;sulfur trioxide
CID 136503741
7-amino-4-hydroxy-3,8-bis[[5-methoxy-2-sulfo-4-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid
CID 144979868
4-amino-3,6-bis[[4-[(2,4-diamino-5-sulfophenyl)diazenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
CID 135848712
5-amino-6-[4-[[4-[(2,4-diamino-5-methoxyphenyl)diazenyl]phenyl]sulfamoyl]anilino]-4-hydroxy-8-methoxysulfanyl-3-[[2-sulfo-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid
CID 143475692
4-amino-5-hydroxy-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
CID 135984618
CID 170841345
CID 170841345
2-[[2,4-diamino-5-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]-5-(2-sulfooxyethylsulfonyl)benzenesulfonic acid
CID 89366408

Frequently Asked Questions

What is the IUPAC name of [4-[[1-amino-8-hydroxy-3,6-disulfo-7-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]diazenyl]phenyl]sulfonyl-[4-[(2,4-diamino-5-methoxyphenyl)diazenyl]phenyl]azanide?
The IUPAC name of [4-[[1-amino-8-hydroxy-3,6-disulfo-7-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]diazenyl]phenyl]sulfonyl-[4-[(2,4-diamino-5-methoxyphenyl)diazenyl]phenyl]azanide (CID 143475738) is [4-[[1-amino-8-hydroxy-3,6-disulfo-7-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]diazenyl]phenyl]sulfonyl-[4-[(2,4-diamino-5-methoxyphenyl)diazenyl]phenyl]azanide.
What is the SMILES notation for [4-[[1-amino-8-hydroxy-3,6-disulfo-7-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]diazenyl]phenyl]sulfonyl-[4-[(2,4-diamino-5-methoxyphenyl)diazenyl]phenyl]azanide?
The canonical SMILES for [4-[[1-amino-8-hydroxy-3,6-disulfo-7-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]diazenyl]phenyl]sulfonyl-[4-[(2,4-diamino-5-methoxyphenyl)diazenyl]phenyl]azanide is COc1cc(/N=N/c2ccc([N-]S(=O)(=O)c3ccc(/N=N/c4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)c(/N=N/c6ccc(S(=O)(=O)CCOS(=O)(=O)O)cc6)c(O)c5c4N)cc3)cc2)c(N)cc1N.
What is the InChIKey of [4-[[1-amino-8-hydroxy-3,6-disulfo-7-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]diazenyl]phenyl]sulfonyl-[4-[(2,4-diamino-5-methoxyphenyl)diazenyl]phenyl]azanide?
The InChIKey is DNKHAJZFOSQURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33N10O16S5/c1-62-30-19-29(27(38)18-28(30)39)44-41-21-2-4-24(5-3-21)47-65(51,52)26-12-8-23(9-13-26)42-45-35-31(66(53,54)55)16-20-17-32(67(56,57)58)36(37(48)33(20)34(35)40)46-43-22-6-10-25(11-7-22)64(49,50)15-14-63-68(59,60)61/h2-13,16-19H,14-15H2,1H3,(H10-,38,39,40,41,42,43,44,45,46,47,48,53,54,55,56,57,58,59,60,61)/q-1.
What are the key properties of [4-[[1-amino-8-hydroxy-3,6-disulfo-7-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]diazenyl]phenyl]sulfonyl-[4-[(2,4-diamino-5-methoxyphenyl)diazenyl]phenyl]azanide?
[4-[[1-amino-8-hydroxy-3,6-disulfo-7-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]diazenyl]phenyl]sulfonyl-[4-[(2,4-diamino-5-methoxyphenyl)diazenyl]phenyl]azanide has a molecular weight of 1034.06 g/mol, XLogP of 7.03, 17 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-amino-8-hydroxy-3,6-disulfo-7-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]diazenyl]phenyl]sulfonyl-[4-[(2,4-diamino-5-methoxyphenyl)diazenyl]phenyl]azanide is sourced from PubChem (CID 143475738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).